ethyl 2-chloro-4-[(4-methoxybenzoyl)amino]benzoate

C17H16ClNO4 — CID 92673889

IUPACethyl 2-chloro-4-[(4-methoxybenzoyl)amino]benzoate
SMILESCCOC(=O)c1ccc(NC(=O)c2ccc(OC)cc2)cc1Cl
InChIInChI=1S/C17H16ClNO4/c1-3-23-17(21)14-9-6-12(10-15(14)18)19-16(20)11-4-7-13(22-2)8-5-11/h4-10H,3H2,1-2H3,(H,19,20)
InChIKeyTVCJNKRTDSATGH-UHFFFAOYSA-N
MW333.77 g/mol
LogP3.78
Rot. Bonds5

About ethyl 2-chloro-4-[(4-methoxybenzoyl)amino]benzoate

ethyl 2-chloro-4-[(4-methoxybenzoyl)amino]benzoate (PubChem CID 92673889) has the molecular formula C17H16ClNO4 and a molecular weight of 333.77 g/mol. Its IUPAC name is ethyl 2-chloro-4-[(4-methoxybenzoyl)amino]benzoate.

Molecular Properties

Compound Nameethyl 2-chloro-4-[(4-methoxybenzoyl)amino]benzoate
PubChem CID92673889
Molecular FormulaC17H16ClNO4
Molecular Weight333.77 g/mol
Exact Mass333.08
IUPAC Nameethyl 2-chloro-4-[(4-methoxybenzoyl)amino]benzoate
SMILESCCOC(=O)c1ccc(NC(=O)c2ccc(OC)cc2)cc1Cl
InChIInChI=1S/C17H16ClNO4/c1-3-23-17(21)14-9-6-12(10-15(14)18)19-16(20)11-4-7-13(22-2)8-5-11/h4-10H,3H2,1-2H3,(H,19,20)
InChIKeyTVCJNKRTDSATGH-UHFFFAOYSA-N
XLogP3.78
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.77
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-chloro-4-[(3,4,5-trimethoxybenzoyl)amino]benzoate
CID 28631326
ethyl 2-chloro-4-[(4-ethoxycarbonylphenyl)carbamoylamino]benzoate
CID 11654003
ethyl 2-chloro-4-[(4-methoxy-3-prop-2-enylbenzoyl)amino]benzoate
CID 92683570
ethyl 2-chloro-4-[2-(4-methoxyphenyl)sulfanylpropanoylamino]benzoate
CID 46763481
ethyl 5-[(3-chloro-4-methylphenyl)carbamoyl]-2-[(4-methoxybenzoyl)amino]-4-methylthiophene-3-carboxylate
CID 1125057
2-chloro-4-fluoro-N-[4-[(4-methoxyphenyl)carbamoyl]phenyl]benzamide
CID 8884469
ethyl 2-chloro-4-[[(2R)-2-(4-methoxy-N-methylsulfonylanilino)propanoyl]amino]benzoate
CID 38004562
ethyl 2-chloro-4-[2-(4-methoxy-N-methylanilino)ethylcarbamothioylamino]benzoate
CID 100754623
N-(3,5-dichloro-4-hydroxyphenyl)-4-methoxybenzamide
CID 1254136
ethyl 2-chloro-4-[(2-chloro-4-nitrobenzoyl)amino]benzoate
CID 92671761
ethyl 2-chloro-4-[[4-[(3-methyl-N-methylsulfonylanilino)methyl]benzoyl]amino]benzoate
CID 46778522
ethyl 2-chloro-4-[[3-(dimethylsulfamoyl)benzoyl]amino]benzoate
CID 100625550

Frequently Asked Questions

What is the IUPAC name of ethyl 2-chloro-4-[(4-methoxybenzoyl)amino]benzoate?
The IUPAC name of ethyl 2-chloro-4-[(4-methoxybenzoyl)amino]benzoate (CID 92673889) is ethyl 2-chloro-4-[(4-methoxybenzoyl)amino]benzoate.
What is the SMILES notation for ethyl 2-chloro-4-[(4-methoxybenzoyl)amino]benzoate?
The canonical SMILES for ethyl 2-chloro-4-[(4-methoxybenzoyl)amino]benzoate is CCOC(=O)c1ccc(NC(=O)c2ccc(OC)cc2)cc1Cl.
What is the InChIKey of ethyl 2-chloro-4-[(4-methoxybenzoyl)amino]benzoate?
The InChIKey is TVCJNKRTDSATGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClNO4/c1-3-23-17(21)14-9-6-12(10-15(14)18)19-16(20)11-4-7-13(22-2)8-5-11/h4-10H,3H2,1-2H3,(H,19,20).
What are the key properties of ethyl 2-chloro-4-[(4-methoxybenzoyl)amino]benzoate?
ethyl 2-chloro-4-[(4-methoxybenzoyl)amino]benzoate has a molecular weight of 333.77 g/mol, XLogP of 3.78, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-chloro-4-[(4-methoxybenzoyl)amino]benzoate is sourced from PubChem (CID 92673889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).